Curcumin


PubChem CID 969516
Molecular Formula C21H20O6
Structure Compound Image
Synonyms
curcumin
458-37-7
Diferuloylmethane
Natural yellow 3
Kacha haldi
Indian saffron
Curcuma
Gelbwurz
Haldar
Curcumin I
Souchet
Haidr
Halad
Halud
Yellow Ginger
Terra Merita
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Safran d'Inde
Yo-Kin
C.I. Natural Yellow 3
Yellow puccoon
Golden seal
Diferaloylmethane
Curcumine
Hydrastis
Tumeric yellow
CI Natural Yellow 3
Kurkumin [Czech]
Kurkumin
8024-37-1
C.I. 75300
Zlut prirodni 3
Jianghuangsu
Zlut prirodni 3 [Czech]
Cucurmin
Curcumin (synthetic)
NanoCurc
E 100
94875-80-6
Tumeric oleoresin
1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
NSC32982
NSC 32982
CCRIS 3257
CHEBI:3962
Curcurmin
Lipocurc
Kurkum
HSDB 4334
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
1,5-Di(vanillyliden)acetylaceton
CI 75300
NCI-C61325
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
1,5-Divanillyliden-2,4-pentandion
EINECS 207-280-5
UNII-IT942ZTH98
MFCD00008365
NSC-32982
Curcumin e100
NSC 687842
trans,trans-Curcumin
BRN 2306965
IT942ZTH98
1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione
E 100 (Dye)
MLS000069631
DTXSID8031077
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-
CHEMBL140
NSC-687842
(E,E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
SMR000058237
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-
DTXCID901421
INS NO. 100(I)
INS-100(I)
4-08-00-03697 (Beilstein Handbook Reference)
(E/Z)-Curcumin
NSC687842
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-
curouma
NCGC00017159-05
kachs haldi
2,7-Nonadiene-4,6-dione, 1,9-bis(4-hydroxy-3-methoxyphenyl)-
safra d'inde
CURCUMIN (MART.)
CURCUMIN [MART.]
CURCUMIN (USP-RS)
CURCUMIN [USP-RS]
(1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione
(1E,6E)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione
Tumeric
Ukon
1,7-BIS-(4-HYDROXY-3-METHOXYPHENYL)-HEPTA-1,6-DIENE-3,5-DIONE
CAS-458-37-7
Phytosome, Curcumin
Ukon (dye)
FEMA No. 3085
FEMA No. 3086
CCRIS 5804
C Yellow 15
SR-01000000149
Curcumin,(S)
starbld0017234
Victory 19 Virus Out
CURCUMIN [HSDB]
CURCUMIN [MI]
Opera_ID_1627
CURCUMIN [WHO-DD]
SCHEMBL8440
SCHEMBL8441
Curcumin, analytical standard
MLS001148449
BIDD:ER0479
CU-01000001305-2
cid_969516
GTPL7000
SCHEMBL13521974
SCHEMBL23884885
SCHEMBL23884886
SCHEMBL23884892
SCHEMBL23884893
BDBM29532
cid_5281767
cMAP_000052
HMS2233K04
HMS3649K06
Natural extraction(isomer mixture)
AMY33436
BCP04695
Tox21_110803
Tox21_111505
Tox21_201116
BBL027711
BDBM50067040
BDBM50140172
CCG-36020
CCG-36107
STL371943
AKOS001305497
BCP9000557
DB11672
NCGC00017159-04
NCGC00017159-06
NCGC00017159-07
NCGC00017159-09
NCGC00017159-10
NCGC00017159-11
NCGC00017159-12
NCGC00023332-03
NCGC00023332-04
NCGC00023332-05
NCGC00258668-01
AC-24238
AS-72202
BP-25396
CURCUMIN (CONSTITUENT OF TURMERIC)
BCP0726000035
DB-002681
WLN: 1OR BQ E1U1V1V1U1R DQ CO1
C2302
CS-0149275
NS00014804
EN300-21494
F21478
K00009
Curcumin, Curcuma longa L. - CAS 458-37-7
A826902
Curcumin, primary pharmaceutical reference standard
Q312266
1,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-
SR-01000000149-2
SR-01000000149-5
BRD-K07572174-001-02-2
BRD-K07572174-001-19-6
BRD-K07572174-001-22-0
BRD-K07572174-001-38-6
BRD-K07572174-001-39-4
Z104500108
Curcumin, >=94% (curcuminoid content), >=80% (Curcumin)
1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione
1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione
Curcumin, matrix substance for MALDI-MS, >=99.5% (HPLC)
Curcumin, United States Pharmacopeia (USP) Reference Standard
1,7-BIS(4-HYDROXYMETHOXYPHENYL)-1,6-HEPTADIENE-3,5-DIONE
1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione
1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione)
(1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione #
(1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione
(1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (E,E)-
5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one
5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one
Curcumin; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
(1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one

Computed Descriptors


IUPAC Name (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
SMILES COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
InChIKey VFLDPWHFBUODDF-FCXRPNKRSA-N

Computed Properties

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Molecular Weight 368.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 368.126
Monoisotopic Mass 368.126
Topological Polar Surface Area 93.1
Heavy Atom Count 27
Formal Charge 0
Complexity 507
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

Annotation

  • C78272 - Agent Affecting Nervous System
  • C241 - Analgesic Agent
  • C2198 - Nonnarcotic Analgesic|C471 - Enzyme Inhibitor
  • C1404 - Protein Kinase Inhibitor
  • C1967 - Tyrosine Kinase Inhibitor|D018501 - Antirheumatic Agents|C471 - Enzyme Inhibitor
  • C1323 - Cyclooxygenase Inhibitor|D004791 - Enzyme Inhibitors|D000970 - Antineoplastic Agents|D002491 - Central Nervous System Agents
  • D000700 - Analgesics|D018373 - Peripheral Nervous System Agents
  • D018689 - Sensory System Agents|D004396 - Coloring Agents|D000893 - Anti-Inflammatory Agents
  • 5 pairs of Verified P450 and Curcumin


    Insect Gene Symbol Validation Reference
    Spodoptera litura CYP321A10 R
    Spodoptera litura CYP321A12 R
    Spodoptera litura CYP321A15 R
    Spodoptera litura CYP321A7 R
    Spodoptera litura CYP321A8 R